SCHEMBL3054005

SCHEMBL3054005

CC1Cc2ccccc2C(=O)C1C

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.66
METAP1 P53582 4/20 0.50
TSHR P16473 1/20 0.50
CYP19A1 P11511 1/20 0.42
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
HTR2B P41595 3/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16691536 1.00 ACHE (0.66) ACHEMETAP1TSHRCYP19A1NOS3
SCHEMBL11776080 0.81 ACHE (0.61) ACHEMETAP1TSHRCYP19A1NOS3
SCHEMBL4938272 0.79 ACHE (1.00) ACHEMETAP1TSHRCYP19A1NOS3
SCHEMBL9752693 0.79 ACHE (1.00) ACHEMETAP1TSHRCYP19A1NOS3
SCHEMBL354925 0.79 ACHE (1.00) ACHEMETAP1TSHRCYP19A1NOS3
SCHEMBL13866434 0.79 ACHE (1.00) ACHEMETAP1TSHRCYP19A1NOS3
SCHEMBL1200699 0.78 ACHE (0.56) ACHEMETAP1TSHRNOS3NOS2
SCHEMBL1699526 0.78 ACHE (0.58) ACHEMETAP1TSHRCYP19A1NOS3
Hydrochloric Acid SCHEMBL7403735 0.78 ACHE (0.96) ACHEMETAP1TSHRCYP19A1
Dimethylamine SCHEMBL8159682 0.77 ACHE (0.85) ACHEMETAP1TSHRCYP19A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109912397-A One kind is together with difluoro substituted-tetrahydro naphthalene ketone compounds and preparation method thereof 上海应用技术大学 2019-06-21 CN disclosed
US-20100222363-A1 Bicyclic Derivatives as P38 Inhibitors PALAU PHARMA, S.A. (ES) 2010-09-02 US disclosed
EP-2094680-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2009-09-02 EP disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO disclosed
EP-0103990-A1 Process for making diarylamines UNIROYAL, INC. (US) 1984-03-28 EP disclosed
US-4431841-A REACTING PRIMARY AROMATIC AMINES AND ALICYCLIC KETONES USING AN ACID PROMOTER AND A PLATINUM CATALYST UNIROYAL, INC. (US) 1984-02-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100222363-A1 Bicyclic Derivatives as P38 Inhibitors MAPK1, MAPKAPK2, MAPK7 ACHE 4699/4885METAP1 2592/4885TSHR 3973/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.